(3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide

C19H27N3O2 — CID 97364680

IUPAC(3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
SMILESCc1ncccc1NC(=O)[C@H]1COC[C@H]2CN(C3CCCC3)C[C@H]21
InChIInChI=1S/C19H27N3O2/c1-13-18(7-4-8-20-13)21-19(23)17-12-24-11-14-9-22(10-16(14)17)15-5-2-3-6-15/h4,7-8,14-17H,2-3,5-6,9-12H2,1H3,(H,21,23)/t14-,16-,17+/m1/s1
InChIKeyZKLLNTLDIVSDPI-OIISXLGYSA-N
MW329.44 g/mol
LogP2.47
Rot. Bonds3

About (3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide

(3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide (PubChem CID 97364680) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide.

Molecular Properties

Compound Name(3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
PubChem CID97364680
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
SMILESCc1ncccc1NC(=O)[C@H]1COC[C@H]2CN(C3CCCC3)C[C@H]21
InChIInChI=1S/C19H27N3O2/c1-13-18(7-4-8-20-13)21-19(23)17-12-24-11-14-9-22(10-16(14)17)15-5-2-3-6-15/h4,7-8,14-17H,2-3,5-6,9-12H2,1H3,(H,21,23)/t14-,16-,17+/m1/s1
InChIKeyZKLLNTLDIVSDPI-OIISXLGYSA-N
XLogP2.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
The IUPAC name of (3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide (CID 97364680) is (3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide.
What is the SMILES notation for (3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
The canonical SMILES for (3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide is Cc1ncccc1NC(=O)[C@H]1COC[C@H]2CN(C3CCCC3)C[C@H]21.
What is the InChIKey of (3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
The InChIKey is ZKLLNTLDIVSDPI-OIISXLGYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-18(7-4-8-20-13)21-19(23)17-12-24-11-14-9-22(10-16(14)17)15-5-2-3-6-15/h4,7-8,14-17H,2-3,5-6,9-12H2,1H3,(H,21,23)/t14-,16-,17+/m1/s1.
What are the key properties of (3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
(3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide is sourced from PubChem (CID 97364680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).